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Crystal data for 15‐ O ‐acetylacerinol and two related triterpenes isolated from Japanese Cimicifuga plants
Author(s) -
Resing K.,
Fitzgerald A.,
Gusano G.
Publication year - 1978
Publication title -
journal of applied crystallography
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 1.429
H-Index - 162
ISSN - 1600-5767
DOI - 10.1107/s0021889878012698
Subject(s) - orthorhombic crystal system , monoclinic crystal system , tetragonal crystal system , terpene , space group , chemistry , crystallography , group (periodic table) , stereochemistry , ethyl acetate , crystal structure , x ray crystallography , diffraction , organic chemistry , physics , optics
Three triterpenes, 15‐ O ‐acetylacerinol, simplexyl acetate and O ‐methylcimiacerol have been obtained from Cimicifuga plants and recrystallized from ethyl acetate. 16‐ O ‐Acetylacerinol is tetragonal, space group P 4 3 2 1 2 or P 4 1 2 1 2, a = b = 7.7624 (7), c = 98.601 (8) Å, V = 5941.2 Å 3 ; simplexyl acetate is monoclinic, space group P 2 1 or P 2 1 / m , a = 15.513 (2), b = 8.3691 (7), c = 11.444 (1) Å, β = 90.33 (4)°, V = 1485.7 Å 3 ; O ‐methylcimiacerol is orthorhombic, space group P 2 1 2 1 2 1 , a = 15.940 (4), b = 18.278 (6), c = 9.650 (3), V = 2811.5 Å 3 . Full structure determinations are in progress.